2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline

C163H99N5 — CID 159427722

About 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline

2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline (PubChem CID 159427722) has the molecular formula C163H99N5 and a molecular weight of 2127.62 g/mol. Its IUPAC name is 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline
• PubChem CID: 159427722
• Molecular Formula: C163H99N5
• Molecular Weight: 2127.62 g/mol
• Exact Mass: 2125.79
• IUPAC Name: 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline
• SMILES: c1ccc(-c2ccc(-c3cc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)nc4c4ccccc34)cc2)nc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c3cc(-c4cc5ccccc5c5ccccc45)c4ccccc4c3n1)c1ccccc12.c1ccc2nc(-c3ccc(-c4cc5c(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)nc5c5ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C56H34N2.C55H33N.C52H32N2/c1-4-16-40-38(14-1)31-49(44-20-8-6-18-42(40)44)50-34-55(51-32-39-15-2-5-17-41(39)43-19-7-9-21-45(43)51)58-56-47-23-11-10-22-46(47)48(33-52(50)56)35-25-27-37(28-26-35)54-30-29-36-13-3-12-24-53(36)57-54;1-4-18-37-34(15-1)29-48(43-24-10-7-21-40(37)43)50-32-53-51(49-30-35-16-2-5-19-38(35)41-22-8-11-25-44(41)49)33-54(56-55(53)47-28-14-13-27-46(47)50)52-31-36-17-3-6-20-39(36)42-23-9-12-26-45(42)52;1-3-15-37-35(13-1)29-46(41-19-7-5-17-39(37)41)47-32-51(48-30-36-14-2-4-16-38(36)40-18-6-8-20-42(40)48)54-52-44-22-10-9-21-43(44)45(31-49(47)52)33-24-26-34(27-25-33)50-23-11-12-28-53-50/h1-34H;1-33H;1-32H
• InChIKey: LQORPXDSAXYYBN-UHFFFAOYSA-N
• XLogP: 44.59
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2127.62
LogP ≤ 5	44.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline?

The IUPAC name of 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline (CID 159427722) is 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline.

What is the SMILES notation for 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline?

The canonical SMILES for 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)nc4c4ccccc34)cc2)nc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c3cc(-c4cc5ccccc5c5ccccc45)c4ccccc4c3n1)c1ccccc12.c1ccc2nc(-c3ccc(-c4cc5c(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)nc5c5ccccc45)cc3)ccc2c1.

What is the InChIKey of 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline?

The InChIKey is LQORPXDSAXYYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2.C55H33N.C52H32N2/c1-4-16-40-38(14-1)31-49(44-20-8-6-18-42(40)44)50-34-55(51-32-39-15-2-5-17-41(39)43-19-7-9-21-45(43)51)58-56-47-23-11-10-22-46(47)48(33-52(50)56)35-25-27-37(28-26-35)54-30-29-36-13-3-12-24-53(36)57-54;1-4-18-37-34(15-1)29-48(43-24-10-7-21-40(37)43)50-32-53-51(49-30-35-16-2-5-19-38(35)41-22-8-11-25-44(41)49)33-54(56-55(53)47-28-14-13-27-46(47)50)52-31-36-17-3-6-20-39(36)42-23-9-12-26-45(42)52;1-3-15-37-35(13-1)29-46(41-19-7-5-17-39(37)41)47-32-51(48-30-36-14-2-4-16-38(36)40-18-6-8-20-42(40)48)54-52-44-22-10-9-21-43(44)45(31-49(47)52)33-24-26-34(27-25-33)50-23-11-12-28-53-50/h1-34H;1-33H;1-32H.

What are the key properties of 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline?

2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline has a molecular weight of 2127.62 g/mol, XLogP of 44.59, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-di(phenanthren-9-yl)-6-(4-pyridin-2-ylphenyl)benzo[h]quinoline;2,4-di(phenanthren-9-yl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;2,4,6-tri(phenanthren-9-yl)benzo[h]quinoline is sourced from PubChem (CID 159427722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).